6-(2-isoquinolin-6-ylpropyl)-3-propan-2-ylisoquinoline

C24H24N2 — CID 162748529

IUPAC6-(2-isoquinolin-6-ylpropyl)-3-propan-2-ylisoquinoline
SMILESCC(C)c1cc2cc(CC(C)c3ccc4cnccc4c3)ccc2cn1
InChIInChI=1S/C24H24N2/c1-16(2)24-13-23-11-18(4-5-22(23)15-26-24)10-17(3)19-6-7-21-14-25-9-8-20(21)12-19/h4-9,11-17H,10H2,1-3H3
InChIKeyPIQPKLHLXNSMIR-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.25
Rot. Bonds4

About 6-(2-isoquinolin-6-ylpropyl)-3-propan-2-ylisoquinoline

6-(2-isoquinolin-6-ylpropyl)-3-propan-2-ylisoquinoline (PubChem CID 162748529) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 6-(2-isoquinolin-6-ylpropyl)-3-propan-2-ylisoquinoline.

Molecular Properties

Compound Name6-(2-isoquinolin-6-ylpropyl)-3-propan-2-ylisoquinoline
PubChem CID162748529
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name6-(2-isoquinolin-6-ylpropyl)-3-propan-2-ylisoquinoline
SMILESCC(C)c1cc2cc(CC(C)c3ccc4cnccc4c3)ccc2cn1
InChIInChI=1S/C24H24N2/c1-16(2)24-13-23-11-18(4-5-22(23)15-26-24)10-17(3)19-6-7-21-14-25-9-8-20(21)12-19/h4-9,11-17H,10H2,1-3H3
InChIKeyPIQPKLHLXNSMIR-UHFFFAOYSA-N
XLogP6.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine
CID 159240940
3-tert-butyl-6-(2-naphthalen-2-ylpropyl)isoquinoline
CID 167048597
2-isoquinolin-6-ylpropan-1-amine
CID 117280533
3-[1-(7-tert-butylnaphthalen-2-yl)propan-2-yl]isoquinoline
CID 146199056
6-pentan-3-ylisoquinoline
CID 126576058
1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline
CID 155733442
6-propan-2-yl-2-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)propyl]-1H-pyrrolo[3,2-c]pyridine
CID 146339122
(2S)-3-isoquinolin-6-yl-2-(methylamino)propanoic acid
CID 172529864
ethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline
CID 164904898
1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038994
2-isoquinolin-6-ylpropanamide
CID 66599621
5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,2-benzoxazole
CID 138644732

Frequently Asked Questions

What is the IUPAC name of 6-(2-isoquinolin-6-ylpropyl)-3-propan-2-ylisoquinoline?
The IUPAC name of 6-(2-isoquinolin-6-ylpropyl)-3-propan-2-ylisoquinoline (CID 162748529) is 6-(2-isoquinolin-6-ylpropyl)-3-propan-2-ylisoquinoline.
What is the SMILES notation for 6-(2-isoquinolin-6-ylpropyl)-3-propan-2-ylisoquinoline?
The canonical SMILES for 6-(2-isoquinolin-6-ylpropyl)-3-propan-2-ylisoquinoline is CC(C)c1cc2cc(CC(C)c3ccc4cnccc4c3)ccc2cn1.
What is the InChIKey of 6-(2-isoquinolin-6-ylpropyl)-3-propan-2-ylisoquinoline?
The InChIKey is PIQPKLHLXNSMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-16(2)24-13-23-11-18(4-5-22(23)15-26-24)10-17(3)19-6-7-21-14-25-9-8-20(21)12-19/h4-9,11-17H,10H2,1-3H3.
What are the key properties of 6-(2-isoquinolin-6-ylpropyl)-3-propan-2-ylisoquinoline?
6-(2-isoquinolin-6-ylpropyl)-3-propan-2-ylisoquinoline has a molecular weight of 340.47 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-isoquinolin-6-ylpropyl)-3-propan-2-ylisoquinoline is sourced from PubChem (CID 162748529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).